SCHEMBL6552558

SCHEMBL6552558

N#CC(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.60
CTSS P25774 8/20 0.58
CTSL P07711 7/20 0.58
CTSB P07858 6/20 0.58
CTSK P43235 5/20 0.58
TRPM8 Q7Z2W7 1/20 0.57
CTRB1 P17538 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9633851 1.00 TACR1 (0.60) TACR1CTSSCTSLCTSBCTSK
SCHEMBL6348416 1.00 TACR1 (0.60) TACR1CTSSCTSLCTSBCTSK
SCHEMBL9633248 1.00 TACR1 (0.60) TACR1CTSSCTSLCTSBCTSK
SCHEMBL9633271 0.90 CTSL (0.52) TACR1CTSSCTSLCTSBCTSK
SCHEMBL9632856 0.89 CTSL (0.51) TACR1CTSSCTSLCTSBCTSK
SCHEMBL11148355 0.88 TRPM8 (0.58) TACR1CTSSCTSLCTSBCTSK
SCHEMBL7734079 0.87 CTSL (0.52) TACR1CTSSCTSLCTSBCTSK
SCHEMBL6467412 0.87 CTSL (0.52) TACR1CTSSCTSLCTSBCTSK
SCHEMBL14119213 0.87 TACR1 (0.49) TACR1CTSSCTSLCTSBCTSK
SCHEMBL14119216 0.87 TACR1 (0.49) TACR1CTSSCTSLCTSBCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885879-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS NIPPON KAYAKU KK (JP) 2004-12-15 EP disclosed
US-5900503-A Process for producing optically active cyanohydrins NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-05-04 US disclosed
EP-0885879-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS NIPPON KAYAKU CO., LTD. (JP) 1998-12-23 EP disclosed
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US disclosed
US-4189604-A PEPTIDASE ENZYME INHIBITORS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-02-19 US disclosed